1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine

C16H20Cl2N4O — CID 11595561

IUPAC1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine
SMILESCc1cc(OCCN2CCC(N)C2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N4O/c1-11-8-16(23-7-6-21-5-4-12(19)10-21)20-22(11)13-2-3-14(17)15(18)9-13/h2-3,8-9,12H,4-7,10,19H2,1H3
InChIKeyNZHDCIRJGVMNRD-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine

1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine (PubChem CID 11595561) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine
PubChem CID11595561
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC Name1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine
SMILESCc1cc(OCCN2CCC(N)C2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N4O/c1-11-8-16(23-7-6-21-5-4-12(19)10-21)20-22(11)13-2-3-14(17)15(18)9-13/h2-3,8-9,12H,4-7,10,19H2,1H3
InChIKeyNZHDCIRJGVMNRD-UHFFFAOYSA-N
XLogP2.90
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine (CID 11595561) is 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine is Cc1cc(OCCN2CCC(N)C2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine?
The InChIKey is NZHDCIRJGVMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O/c1-11-8-16(23-7-6-21-5-4-12(19)10-21)20-22(11)13-2-3-14(17)15(18)9-13/h2-3,8-9,12H,4-7,10,19H2,1H3.
What are the key properties of 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine?
1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine has a molecular weight of 355.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine is sourced from PubChem (CID 11595561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).